Qiu T - Search Results

1

Terahertz field-induced ferroelectricity in quantum paraelectric SrTiO₃.

Li X, Qiu T, Zhang J, Baldini E, Lu J, Rappe AM, Nelson KA. Li X, et al. Among authors: qiu t. Science. 2019 Jun 14;364(6445):1079-1082. doi: 10.1126/science.aaw4913. Science. 2019. PMID: 31197011

2

A Robust and Unified Solution for Choosing the Phases of Adiabatic States as a Function of Geometry: Extending Parallel Transport Concepts to the Cases of Trivial and Near-Trivial Crossings.

Zhou Z, Jin Z, Qiu T, Rappe AM, Subotnik JE. Zhou Z, et al. Among authors: qiu t. J Chem Theory Comput. 2020 Feb 11;16(2):835-846. doi: 10.1021/acs.jctc.9b00952. Epub 2019 Dec 23. J Chem Theory Comput. 2020. PMID: 31869225

3

General Approach for Reducing Continuous Translational Symmetry Errors in Finite Difference Real-Space Calculations.

Qiu T, Kronik L, Rappe AM. Qiu T, et al. J Chem Theory Comput. 2020 Jul 14;16(7):4327-4336. doi: 10.1021/acs.jctc.0c00238. Epub 2020 Jun 22. J Chem Theory Comput. 2020. PMID: 32456435

4

Optical signatures of multifold fermions in the chiral topological semimetal CoSi.

Xu B, Fang Z, Sánchez-Martínez MÁ, Venderbos JWF, Ni Z, Qiu T, Manna K, Wang K, Paglione J, Bernhard C, Felser C, Mele EJ, Grushin AG, Rappe AM, Wu L. Xu B, et al. Among authors: qiu t. Proc Natl Acad Sci U S A. 2020 Nov 3;117(44):27104-27110. doi: 10.1073/pnas.2010752117. Epub 2020 Oct 19. Proc Natl Acad Sci U S A. 2020. PMID: 33077590 Free PMC article.

5

On the meaning of Berry force for unrestricted systems treated with mean-field electronic structure.

Bian X, Qiu T, Chen J, Subotnik JE. Bian X, et al. Among authors: qiu t. J Chem Phys. 2022 Jun 21;156(23):234107. doi: 10.1063/5.0093092. J Chem Phys. 2022. PMID: 35732536

6

Erratum: "On the meaning of Berry force for unrestricted systems treated with mean-field electronic structure" [J. Chem. Phys. 156, 234107 (2022)].

Bian X, Qiu T, Chen J, Subotnik JE. Bian X, et al. Among authors: qiu t. J Chem Phys. 2023 Dec 7;159(21):219901. doi: 10.1063/5.0186052. J Chem Phys. 2023. PMID: 38038213 No abstract available.

7

A fast and smooth one-electron approach for investigating charge transfer states and D1-D0 crossings for systems with odd numbers of electrons.

Qiu T, Bian X, Tao Z, Subotnik JE. Qiu T, et al. J Chem Phys. 2024 Jun 7;160(21):214115. doi: 10.1063/5.0209036. J Chem Phys. 2024. PMID: 38832731

8

Symmetric Post-Transition State Bifurcation Reactions with Berry Pseudomagnetic Fields.

Tao Z, Qiu T, Subotnik JE. Tao Z, et al. Among authors: qiu t. J Phys Chem Lett. 2023 Jan 26;14(3):770-778. doi: 10.1021/acs.jpclett.2c02668. Epub 2023 Jan 18. J Phys Chem Lett. 2023. PMID: 36652556

9

A Practical Approach to Wave Function Propagation, Hopping Probabilities, and Time Steps in Surface Hopping Calculations.

Qiu T, Climent C, Subtonik JE. Qiu T, et al. J Chem Theory Comput. 2023 May 23;19(10):2744-2757. doi: 10.1021/acs.jctc.3c00126. Epub 2023 May 2. J Chem Theory Comput. 2023. PMID: 37130302

10

Surface hopping, electron translation factors, electron rotation factors, momentum conservation, and size consistency.

Athavale V, Bian X, Tao Z, Wu Y, Qiu T, Rawlinson J, Littlejohn RG, Subotnik JE. Athavale V, et al. Among authors: qiu t. J Chem Phys. 2023 Sep 21;159(11):114120. doi: 10.1063/5.0160965. J Chem Phys. 2023. PMID: 37728203

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

1,855 results

Search Page

Filters